Marvin  10130810342D          

  9  8  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
M  CHG  2   6  -1   9  -1
M  END
> <ID>
CHEBI:16452

> <NAME>
oxaloacetate(2-)

> <DEFINITION>
A C4-dicarboxylate resuting from deprotonation of both carboxy groups of oxaloacetic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14703; CHEBI:29049; CHEBI:12820; CHEBI:24958; CHEBI:25731

> <SYNONYM>
oxosuccinate; oxobutanedioic acid, ion(2-); oxobutanedioate; oxaloacetate dianion; oxaloacetate; oxaloacetate; oxalacetate

> <IUPAC_NAME>
2-oxobutanedioate

> <FORMULA>
C4H2O5

> <MASS>
130.05568

> <MONOISOTOPIC_MASS>
129.99132

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)CC(=O)C([O-])=O

> <INCHI>
InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-2

> <INCHIKEY>
KHPXUQMNIQBQEV-UHFFFAOYSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
3605372

> <CAS_REGISTRY_NUMBER>
149-63-3

> <GMELIN_REGISTRY_NUMBER>
1242579

> <REAXYS_REGISTRY_NUMBER>
3605372

> <CHEMIDPLUS>
149-63-3

> <KEGG_COMPOUND_ACCESSION>
C00036

> <METACYC_ACCESSION>
OXALACETIC_ACID

> <PUBMED_CITATION>
19793063; 21098488; 21175886; 21178163; 21185899; 21434608; 21495723; 21745184

$$$$